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LEADER Contents Tech focus: Software tools


New cloud tools and services available for HPC researchers Global research


Complex simulation drives a need for HPC


Laboratory informatics Big data solutions


Big data is helping research into sleep problems, cutting trips to hospital in the process, as well as improving driver safety


Digital transformation


Sophia Ktori discusses digital transformation in the laboratory Covid-19 research


How Antha can develop a better platform for design of experiments Maximsing use of laboratory data


Merck’s Jean-Charles Wirth discusses their acquisition of BSSN Managing biological data


Robert Roe on software tools for data management in the lab


Modelling and simulation Changing CFD


Resources Suppliers directory


Editorial and administrative team Editor: Robert Roe robert.roe@europascience.com Managing editor: Tim Gillett editor.scw@europascience.com Specialist reporters: Sophia Ktori, Gemma Church Design: David Houghton, Zöe Andrews Partnership & events executive: Charlie Mitchell charlie.mitchell@europascience.com


Advertising team Advertising manager: Mike Nelson mike.nelson@europascience.com +44 (0) 1223 221039 Production manager: David Houghton david.houghton@europascience.com +44 (0) 1223 221034


Corporate team Managing director: Warren Clark


Scientific Computing World is published by Europa Science Ltd, 4 Signet Court, Cambridge, CB5 8LA l ISSN 1744-8026 Tel: +44 (0) 1223 211170 l Fax: +44 (0) 1223 213385 Web: www.researchinformation.info


18 22


Robert Roe considers software tools helping accelerate vital research Laboratory automation


26 27 28 Autumn 2020 l Issue 173


Robert Roe Editor


High performance computing Exascale challenges


Robert Roe takes a look at the challenges facing the development of the first generation of exascale supercomputers


8


A round-up of the latest software tools to make HPC more accessible Tech focus: Cloud


Jisc’s Matthew Dovey discusses the importance of cloud computing and improving digital infrastructure


14


With increasing demand from simulation engineers, HPC systems are now being designed specifically to accelerate engineering workloads


10 12 4


Taking it up an exa-notch


16


In this issue we take a look at how data is driving the next generation of computing technologies. On page 4, we begin with exascale and the challenges facing researchers trying to reach this milestone across. With the first US-based exascale supercomputer delayed due to Intel’s manufacturing issues, AMD will deploy the first system in the US. Next, we have two technology focus on page 8 and 11 which detail software tools for HPC and cloud technologies. Following that on page 14 is an article which highlights the need for HPC technology in engineering simulation. The laboratory informatics content


30


Gemma Church investigates how CFD is extending its reach across multiple industries


34


Subscriptions: Free registration is available to qualifying individuals. Register online at www.scientific-computing.com Subscriptions £180 a year for six issues to readers outside registration requirements. Single issue £20. Orders to ESL, SCW Circulation, 4 Signet Court, Swann Road, Cambridge, CB5 8LA, UK. Tel: +44 (0)1223 221 030. Fax: +44 (0)1223 213 385. ©2020 Europa Science Ltd.


While every care has been taken in the compilation of this magazine, errors or omissions are not the responsibility of the publishers or of the editorial staff. Opinions expressed are not necessarily those of the publishers or editorial staff. All rights reserved. Unless specifically stated, goods or services mentioned are not formally endorsed by Europa Science Ltd, which does not guarantee or endorse or accept any liability for any goods and/or services featured in this publication.


US copies: Scientific Computing World (ISSN 1356-7853/USPS No 018-753) is published bi-monthly for £180 per year by Europa Science Ltd, and distributed in the USA by DSW, 75 Aberdeen Rd, Emigsville PA 17318-0437. Periodicals postage paid at Emigsville PA. Postmaster: Send address corrections to Scientific Computing World PO Box 437, Emigsville, PA 17318-0437.


Cover: Shutterstock.com


Subscribe for free at www.scientific-computing.com/subscribe


www.scientific-computing.com | @scwmagazine Autumn 2020 Scientific Computing World 3


starts on page 16 with a look at how big data is helping research into patients with sleep problems. On page 17, Sophia Ktori considers digital transformation in the laboratory, while the focus shifts to Covid-19 research on page 22, and how software tools can help expedite drug and vaccine development. The importance of cloud computing and improving digital infrastructure is the focus of an article from Jisc’s Matthew Dovey on page 25. Following that Synthace co-founder Markus Gershater discusses the role of Antha in developing a more effective platform for the design of experiments. Maximising the use of laboratory data is the theme of an interview with Merck’s Jean-Charles Wirth on page 27. The focus then shifts to biological data on page 28, with the role of software tools for data management under the spotlight.


On page 30 Gemma Church takes a deep dive into the increasing use of CFD in engineering.


@scwmagazine


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